N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloranyl-8-methyl-2-(4-propoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloranyl-8-methyl-2-(4-propoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7-chloro-8-methyl-2-(4-propoxyphenyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloro-8-methyl-2-(4-propoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloro-8-methyl-2-(4-propoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7-chloro-8-methyl-2-(4-propoxyphenyl)cinchoninamide Formula: C29H28ClN3O3S MolecularWeight: 534.06892

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

InChI

InChI=1S/C29H28ClN3O3S/c1-3-14-36-18-10-8-17(9-11-18)23-15-21(19-12-13-22(30)16(2)26(19)32-23)28(35)33-29-25(27(31)34)20-6-4-5-7-24(20)37-29/h8-13,15H,3-7,14H2,1-2H3,(H2,31,34)(H,33,35)